General Information of the Compound
| Compound ID |
CP0496143
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| Compound Name |
1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-N-(2-(trifluoromethoxy)benzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C23H23F6N5O2
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| Molecular Weight |
515.458
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1OC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H23F6N5O2/c1-30-9-10-31-13-15-5-4-7-17(11-15)34-18(12-20(33-34)22(24,25)26)21(35)32-14-16-6-2-3-8-19(16)36-23(27,28)29/h2-8,11-12,30-31H,9-10,13-14H2,1H3,(H,32,35)
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| InChIKey |
CGHYVYWFJZTCTO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound